RefChem:1072204
TL;DR: RefChem:1072204 (CAS 74022-47-2) is a chemical compound with molecular formula C11H15ClN2O2S and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxy-3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium chloride
Also Known As: 1-Methyl-2-methylthio-5,6-dimethoxybenzimidazole hydrochloride, BENZIMIDAZOLE, 5,6-DIMETHOXY-1-METHYL-2-METHYLTHIO-, HYDROCHLORIDE, 5,6-Dimethoxy-3-methyl-2-(methylsulfanyl)-1H-benzimidazol-3-ium chloride, 5,6-dimethoxy-3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium chloride, 5,6-Dimethoxy-1-methyl-2-(methylsulfanyl)-1H-benzimidazole--hydrogen chloride (1/1)
| Molecular Formula | C11H15ClN2O2S |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | -1.26 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0543 |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 74022-47-2 |
|---|---|
| SMILES | C[N+]1=C(NC2=CC(=C(C=C21)OC)OC)SC.[Cl-] |
| InChIKey | NSNRSKOAIAFKMR-UHFFFAOYSA-N |
Product Overview
RefChem:1072204 (CAS 74022-47-2), with molecular formula C11H15ClN2O2S and molecular weight 274.05 g/mol. IUPAC: 5,6-dimethoxy-3-methyl-2-methylsulfanyl-1H-benzimidazol-3-ium chloride.
Chemical Property Profile of RefChem:1072204
Property Insights of RefChem:1072204
The XLogP value of -1.26 indicates that RefChem:1072204 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072204. Following Lipinski's Rule of Five, RefChem:1072204 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1072204?
The CAS number of RefChem:1072204 is 74022-47-2.
What is the molecular formula of RefChem:1072204?
The molecular formula of RefChem:1072204 is C11H15ClN2O2S.
What is the molecular weight of RefChem:1072204?
The molecular weight of RefChem:1072204 is 274.05 g/mol.
Where can I buy RefChem:1072204?
You can request a quote for RefChem:1072204 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072204?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072204 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.